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7Q9K
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BU of 7q9k by Molmil
Beta-32 fab in complex with SARS-CoV-2 beta-Spike glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-32 heavy chain, ...
Authors:Duyvesteyn, H.M.E, Ren, J, Stuart, D.I.
Deposit date:2021-11-12
Release date:2021-12-15
Last modified:2022-01-26
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:The antibody response to SARS-CoV-2 Beta underscores the antigenic distance to other variants.
Cell Host Microbe, 30, 2022
7Q9M
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BU of 7q9m by Molmil
Beta-53 fab in complex with SARS-CoV-2 beta-Spike glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-53 fab heavy chain, ...
Authors:Duyvesteyn, H.M.E, Ren, J, Stuart, D.I.
Deposit date:2021-11-12
Release date:2021-12-15
Last modified:2022-01-26
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:The antibody response to SARS-CoV-2 Beta underscores the antigenic distance to other variants.
Cell Host Microbe, 30, 2022
7Q9P
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BU of 7q9p by Molmil
Beta-06 fab in complex with SARS-CoV-2 beta-Spike glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-06 heavy chain, ...
Authors:Duyvesteyn, H.M.E, Ren, J, Stuart, D.I.
Deposit date:2021-11-12
Release date:2021-12-15
Last modified:2022-01-26
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:The antibody response to SARS-CoV-2 Beta underscores the antigenic distance to other variants.
Cell Host Microbe, 30, 2022
4DN3
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BU of 4dn3 by Molmil
Crystal structure of anti-mcp-1 antibody cnto888
Descriptor: CNTO888 HEAVY CHAIN, CNTO888 LIGHT CHAIN
Authors:Obmolova, G, Teplyakov, A, Malia, T, Grygiel, T, Sweet, R, Snyder, L, Gilliland, G.
Deposit date:2012-02-08
Release date:2012-10-03
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for high selectivity of anti-CCL2 neutralizing antibody CNTO 888.
Mol.Immunol., 51, 2012
4DN4
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BU of 4dn4 by Molmil
Crystal structure of the complex between cnto888 fab and mcp-1 mutant p8a
Descriptor: ACETATE ION, C-C motif chemokine 2, CNTO888 HEAVY CHAIN, ...
Authors:Obmolova, G, Teplyakov, A, Malia, T, Grygiel, T, Sweet, R, Snyder, L, Gilliland, G.
Deposit date:2012-02-08
Release date:2012-10-03
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for high selectivity of anti-CCL2 neutralizing antibody CNTO 888.
Mol.Immunol., 51, 2012
8BOE
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BU of 8boe by Molmil
Human Carbonic Anhydrase I in complex with (S)-4-(3-(1-(6-nitropyridin-2-yl)pyrrolidin-3-yl)thioureido)benzenesulfonamide
Descriptor: 1-[(3~{R})-1-(6-nitropyridin-2-yl)pyrrolidin-3-yl]-3-(4-sulfamoylphenyl)thiourea, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2022-11-15
Release date:2023-11-29
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:First-in-Class Dual Hybrid Carbonic Anhydrase Inhibitors and Transient Receptor Potential Vanilloid 1 Agonists Revert Oxaliplatin-Induced Neuropathy.
J.Med.Chem., 66, 2023
5KNG
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BU of 5kng by Molmil
CRYSTAL STRUCTURE OF ANTI-IL-13 DARPIN 6G9
Descriptor: DARPIN 6G9, GLYCEROL, PHOSPHATE ION
Authors:Teplyakov, A, Malia, T, Obmolova, G, Gilliland, G.
Deposit date:2016-06-28
Release date:2016-12-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Conformational flexibility of an anti-IL-13 DARPin.
Protein Eng. Des. Sel., 30, 2017
5KNH
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BU of 5knh by Molmil
CRYSTAL STRUCTURE OF DARPIN 6G9 IN COMPLEX WITH CYNO IL-13
Descriptor: ACETATE ION, DARPIN 6G9, IL13
Authors:Teplyakov, A, Malia, T, Obmolova, G, Gilliland, G.
Deposit date:2016-06-28
Release date:2016-12-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Conformational flexibility of an anti-IL-13 DARPin.
Protein Eng. Des. Sel., 30, 2017
5TLK
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BU of 5tlk by Molmil
COMPLEX BETWEEN HUMAN CD27 AND FAB FRAGMENTS OF ANTIBODIES M2177 AND H2191
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CD27 antigen, H2191 HEAVY CHAIN, ...
Authors:Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L.
Deposit date:2016-10-11
Release date:2017-02-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Epitope-dependent mechanisms of CD27 neutralization revealed by X-ray crystallography.
Mol. Immunol., 83, 2017
3I84
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BU of 3i84 by Molmil
The Crystal Structure of Human EMMPRIN N-terminal Domain 1 in P6(1)22 space group
Descriptor: CHLORIDE ION, Cervical EMMPRIN
Authors:Luo, J, Gilliland, G.L.
Deposit date:2009-07-09
Release date:2009-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the EMMPRIN N-terminal domain 1: Dimerization via beta-strand swapping.
Proteins, 77, 2009
5TLJ
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BU of 5tlj by Molmil
COMPLEX BETWEEN HUMAN CD27 AND FAB FRAGMENTS OF ANTIBODIES M2177 AND M2191
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CD27 antigen, M2177 HEAVY CHAIN, ...
Authors:Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L.
Deposit date:2016-10-11
Release date:2017-02-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Epitope-dependent mechanisms of CD27 neutralization revealed by X-ray crystallography.
Mol. Immunol., 83, 2017
7ORB
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BU of 7orb by Molmil
Crystal structure of the L452R mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-75 and COVOX-253 Fabs
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhou, D, Ren, J, Stuart, D.I.
Deposit date:2021-06-04
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Reduced neutralization of SARS-CoV-2 B.1.617 by vaccine and convalescent serum.
Cell, 184, 2021
7OR9
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BU of 7or9 by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and COVOX-278 Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COVOX-222 Fab heavy chain, ...
Authors:Zhou, D, Ren, J, Stuart, D.I.
Deposit date:2021-06-04
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Reduced neutralization of SARS-CoV-2 B.1.617 by vaccine and convalescent serum.
Cell, 184, 2021
7ORA
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BU of 7ora by Molmil
Crystal structure of the T478K mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-45 and COVOX-253 Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COVOX-253 Fab heavy chain, ...
Authors:Zhou, D, Ren, J, Stuart, D.I.
Deposit date:2021-06-04
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Reduced neutralization of SARS-CoV-2 B.1.617 by vaccine and convalescent serum.
Cell, 184, 2021
3IA6
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BU of 3ia6 by Molmil
X-ray Crystal structure of the nuclear hormone receptor PPAR-gamma in a complex with a PPAR gamma/alpha dual agonist
Descriptor: (2S)-3-{4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl}-2-(2H-1,2,3-triazol-2-yl)propanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Ohren, J.F.
Deposit date:2009-07-13
Release date:2009-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Synthesis and evaluation of novel alpha-heteroaryl-phenylpropanoic acid derivatives as PPARalpha/gamma dual agonists.
Bioorg.Med.Chem., 17, 2009
3I85
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BU of 3i85 by Molmil
The Crystal Structure of Human EMMPRIN N-terminal Domain 1
Descriptor: Cervical EMMPRIN
Authors:Luo, J, Gilliland, G.L.
Deposit date:2009-07-09
Release date:2009-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the EMMPRIN N-terminal domain 1: Dimerization via beta-strand swapping.
Proteins, 77, 2009
1FGV
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BU of 1fgv by Molmil
X-RAY STRUCTURES OF FRAGMENTS FROM BINDING AND NONBINDING VERSIONS OF A HUMANIZED ANTI-CD18 ANTIBODY: STRUCTURAL INDICATIONS OF THE KEY ROLE OF VH RESIDUES 59 TO 65
Descriptor: H52 FV (HEAVY CHAIN), H52 FV (LIGHT CHAIN)
Authors:Eigenbrot, C, Kessler, J.
Deposit date:1993-11-01
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray structures of fragments from binding and nonbinding versions of a humanized anti-CD18 antibody: structural indications of the key role of VH residues 59 to 65.
Proteins, 18, 1994
6FKK
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BU of 6fkk by Molmil
Drosophila Semaphorin 1b, extracellular domains 1-2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, MIP07328p, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Rozbesky, D, Harlos, K, Jones, E.Y.
Deposit date:2018-01-24
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Diversity of oligomerization in Drosophila semaphorins suggests a mechanism of functional fine-tuning.
Nat Commun, 10, 2019
4M7K
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BU of 4m7k by Molmil
Crystal structure of anti-tissue factor antibody 10H10
Descriptor: 10H10 heavy chain, 10H10 light chain, ACETATE ION, ...
Authors:Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L.
Deposit date:2013-08-12
Release date:2014-03-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Antibody modeling assessment II. Structures and models.
Proteins, 82, 2014
4M6O
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BU of 4m6o by Molmil
Crystal structure of anti-NGF antibody CNTO7309
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CNTO7309 heavy chain, CNTO7309 light chain, ...
Authors:Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L.
Deposit date:2013-08-09
Release date:2014-03-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Antibody modeling assessment II. Structures and models.
Proteins, 82, 2014
4MAU
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BU of 4mau by Molmil
Crystal structure of anti-ST2L antibody C2244
Descriptor: C2244 heavy chain, C2244 light chain, FORMIC ACID, ...
Authors:Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L.
Deposit date:2013-08-16
Release date:2014-03-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Antibody modeling assessment II. Structures and models.
Proteins, 82, 2014
4HAF
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BU of 4haf by Molmil
Crystal structure of fc-fragment of human IgG2 antibody (primitive crystal form)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-2 chain C region
Authors:Teplyakov, A, Malia, T, Obmolova, G, Zhao, Y, Gilliland, G.
Deposit date:2012-09-26
Release date:2013-06-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:IgG2 Fc structure and the dynamic features of the IgG CH2-CH3 interface.
Mol.Immunol., 56, 2013
4KQ3
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BU of 4kq3 by Molmil
Crystal structure of Anti-IL-17A antibody CNTO3186
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CNTO3186 heavy chain, ...
Authors:Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L.
Deposit date:2013-05-14
Release date:2014-03-26
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural evidence for a constrained conformation of short CDR-L3 in antibodies.
Proteins, 82, 2014
4HAG
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BU of 4hag by Molmil
Crystal structure of fc-fragment of human IgG2 antibody (centered crystal form)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-2 chain C region
Authors:Teplyakov, A, Malia, T, Obmolova, G, Zhao, Y, Gilliland, G.
Deposit date:2012-09-26
Release date:2013-06-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:IgG2 Fc structure and the dynamic features of the IgG CH2-CH3 interface.
Mol.Immunol., 56, 2013
4KMT
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BU of 4kmt by Molmil
Crystal structure of human germline antibody 5-51/O12
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GLYCEROL, SULFATE ION, ...
Authors:Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L.
Deposit date:2013-05-08
Release date:2014-03-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Antibody modeling assessment II. Structures and models.
Proteins, 82, 2014

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